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AB-342/42478394 is available in 6 mg

Compound details
Formula:		C21 H30 O5
Weight:		362.46
Chiral info:		Not available
Name:		Humulone
SMILES:		CC(C)=CCC=1C(=O)C(C(=O)CC(C)C)=C(O)C(O)(CC=C(C)C)C=1(O)
InChI^TM:		InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,24-26H,8,10-11H2,1-6H3
InChIKey^TM:		RMFGNMMNUZWCRZ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		2850 mg/Kg
Chronic LOAEL:		591 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	4.31	H-acceptors: 5
LogS:	-5.52	H-donors: 3
tPSA:	94.83 Å²	Rotatable bonds: 7

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.